PM7 Accuracy

2,4,6-trimethoxy-s-triazine   1368 2,4,6-Trimethoxy-s-triazine

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    #  Species Formula
  1358 Pro-pro (Geo)C10H16N2O3
  1359 PRO-PROC10H16N2O3
  1360 Val-val (Geo)C10H20N2O3
  1361 VAL-VALC10H20N2O3
  1362 Ile-ile (Geo)C12H24N2O3
  1363 ILE-ILEC12H24N2O3
  1364 LEU-LEUC12H24N2O3
  1365 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1366 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1367 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1368 2,4,6-Trimethoxy-s-triazine C6H9N3O3
  1369 Li(+)(H2O)4H8LiO4
  1370 Li(+)(H2O)4 (Geo)H8LiO4
  1371 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1372 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1373 B(OH)4, anion (Geo)H4BO4
  1374 TetrahydroxydiboraneH4B2O4
  1375 Oxalic acidC2H2O4
  1376 Formic acid, dimer (Geo)C2H4O4
  1377 Formic acid, dimerC2H4O4
  1378 DioxybismethanolC2H6O4


DHf: -70.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2,4,6-Trimethoxy-s-triazine
 H=-70.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.36283739  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.36398250  1  114.6555872  1    0.0000000  0     2     1     0
  N     1.36276547  1  125.3386523  1    0.0255361  1     3     2     1
  C     1.36383601  1  114.6727926  1    0.0008050  1     4     3     2
  N     1.36283327  1  125.3229932  1   -0.0464162  1     5     4     3
  O     1.33604553  1  120.8411408  1  179.9765165  1     1     2     3
  C     1.43745702  1  115.6300627  1   -0.1366964  1     7     1     2
  O     1.33606671  1  113.8221165  1  179.9864792  1     3     2     4
  C     1.43753390  1  115.6188559  1  179.9527706  1     9     3     2
  O     1.33602699  1  113.8459140  1  179.9977417  1     5     4     6
  C     1.43748271  1  115.6104031  1  179.9646072  1    11     5     4
  H     1.09594076  1  110.7143947  1  -61.3817358  1     8     7     1
  H     1.09594533  1  110.7567375  1  122.5603607  1     8     7    13
  H     1.09696825  1  101.2247853  1  118.7462296  1     8     7    14
  H     1.09599856  1  110.7578237  1   61.0492729  1    10     9     3
  H     1.09589991  1  110.7125422  1 -122.5559076  1    10     9    16
  H     1.09698353  1  101.2323713  1 -118.7326177  1    10     9    17
  H     1.09597402  1  110.7565793  1   61.0330606  1    12    11     5
  H     1.09586987  1  110.7141047  1 -122.5484569  1    12    11    19
  H     1.09696828  1  101.2382044  1 -118.7377243  1    12    11    20